2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide

C8H12F3NO2 — CID 62733001

IUPAC2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide
SMILESO=C(NCCC1CCCO1)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(13)12-4-3-6-2-1-5-14-6/h6H,1-5H2,(H,12,13)
InChIKeySKXBUKWHXQVWDI-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.23
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide (PubChem CID 62733001) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide
PubChem CID62733001
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide
SMILESO=C(NCCC1CCCO1)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(13)12-4-3-6-2-1-5-14-6/h6H,1-5H2,(H,12,13)
InChIKeySKXBUKWHXQVWDI-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide (CID 62733001) is 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide is O=C(NCCC1CCCO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide?
The InChIKey is SKXBUKWHXQVWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)7(13)12-4-3-6-2-1-5-14-6/h6H,1-5H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(oxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 62733001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).